N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide

C12H12N2OS — CID 669966

IUPACN-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cccnc1
InChIInChI=1S/C12H12N2OS/c15-12(7-11-4-2-6-16-11)14-9-10-3-1-5-13-8-10/h1-6,8H,7,9H2,(H,14,15)
InChIKeyMPTCLEFCBIUNNL-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.00
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide

N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 669966) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID669966
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cccnc1
InChIInChI=1S/C12H12N2OS/c15-12(7-11-4-2-6-16-11)14-9-10-3-1-5-13-8-10/h1-6,8H,7,9H2,(H,14,15)
InChIKeyMPTCLEFCBIUNNL-UHFFFAOYSA-N
XLogP2.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide (CID 669966) is N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is MPTCLEFCBIUNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-12(7-11-4-2-6-16-11)14-9-10-3-1-5-13-8-10/h1-6,8H,7,9H2,(H,14,15).
What are the key properties of N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 232.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 669966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).